N-(3-methylbutyl)-6-pyridin-2-yl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(3-methylbutyl)-6-pyridin-2-yl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-isopentyl-6-(2-pyridyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(3-methylbutyl)-6-(2-pyridinyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(3-methylbutyl)-6-pyridin-2-ylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-isoamyl-6-(2-pyridyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H23N3OS MolecularWeight: 401.52392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=N2)C4=CC=CC=N4

Isomeric SMILES

CC(C)CCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=N2)C4=CC=CC=N4

InChI

InChI=1S/C24H23N3OS/c1-16(2)12-14-26-24(28)17-10-11-22-20(15-17)27-23(19-8-5-6-13-25-19)18-7-3-4-9-21(18)29-22/h3-11,13,15-16H,12,14H2,1-2H3,(H,26,28)